Glycoside
GD076522
Name:
NoneFormula:
C17H24O7N4Smiles:
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CC(C)(C)OC(=O)C(C#N)c1nccnc1NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.4 | Num_heavy_atoms: | 28 |
| TPSA: | 178.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD35276
Formula: C11H14O2N4
Smiles:
CC(C)(C)OC(=O)C(C#N)c1nccnc1N| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.26 | Num_heavy_atoms: | 17 |
| TPSA: | 101.89 | NumAromaticRings: | 1 |
